SCHEMBL31506328

SCHEMBL31506328

CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](COC(C)(C)C)C(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ TLR2 O60603 2/20 0.44
▸ PTPN1 P18031 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29696629 0.98 CASP3 (0.48) KMT2ACASP3MDM4TP53TLR2
SCHEMBL24580492 0.98 CASP3 (0.48) KMT2ACASP3MDM4TP53TLR2
SCHEMBL30640807 0.98 CASP3 (0.48) KMT2ACASP3MDM4TP53TLR2
SCHEMBL30562127 0.90 MDM4 (0.53) CASP3MDM4TP53TLR2
SCHEMBL8140875 0.88 CASP3 (0.51) KMT2ACASP3MDM4TP53TLR2
SCHEMBL29373684 0.87 MDM4 (0.51) CASP3MDM4TP53TLR2
SCHEMBL29696728 0.87 MDM4 (0.47) CASP3MDM4TP53TLR2
SCHEMBL119565 0.85 MDM4 (0.56) CASP3MDM4TP53TLR2
SCHEMBL598209 0.85 MDM4 (0.56) CASP3MDM4TP53TLR2
SCHEMBL119575 0.85 MDM4 (0.56) CASP3MDM4TP53TLR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119529056-A Solid phase preparation method of telipopeptide 福建基诺厚普生物科技有限公司 2025-02-28 — — CN disclosed
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